tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate

C18H24N6O3 — CID 174664106

IUPACtert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCN(c2ncnc3ncccc23)CC1
InChIInChI=1S/C18H24N6O3/c1-18(2,3)27-17(26)20-11-14(25)23-7-9-24(10-8-23)16-13-5-4-6-19-15(13)21-12-22-16/h4-6,12H,7-11H2,1-3H3,(H,20,26)
InChIKeyYFKLDJYKBFZNIB-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.20
Rot. Bonds3

About tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate

tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate (PubChem CID 174664106) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate
PubChem CID174664106
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Nametert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCN(c2ncnc3ncccc23)CC1
InChIInChI=1S/C18H24N6O3/c1-18(2,3)27-17(26)20-11-14(25)23-7-9-24(10-8-23)16-13-5-4-6-19-15(13)21-12-22-16/h4-6,12H,7-11H2,1-3H3,(H,20,26)
InChIKeyYFKLDJYKBFZNIB-UHFFFAOYSA-N
XLogP1.20
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate (CID 174664106) is tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ncnc3ncccc23)CC1.
What is the InChIKey of tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is YFKLDJYKBFZNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-18(2,3)27-17(26)20-11-14(25)23-7-9-24(10-8-23)16-13-5-4-6-19-15(13)21-12-22-16/h4-6,12H,7-11H2,1-3H3,(H,20,26).
What are the key properties of tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 372.43 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 174664106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).